Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H20F3N3O3 |
| Molecular Weight | 431.4077 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C=C2C=C(OC3=CC=C(C=C3)C(F)(F)F)C=C([C@@H]4C[C@H]4C(=O)N5CC(O)C5)C2=N1
InChI
InChIKey=KHGVGNIPYOSXFC-PKOBYXMFSA-N
InChI=1S/C22H20F3N3O3/c1-27-9-12-6-16(31-15-4-2-13(3-5-15)22(23,24)25)7-18(20(12)26-27)17-8-19(17)21(30)28-10-14(29)11-28/h2-7,9,14,17,19,29H,8,10-11H2,1H3/t17-,19+/m0/s1
| Molecular Formula | C22H20F3N3O3 |
| Molecular Weight | 431.4077 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 21:10:35 GMT 2025
by
admin
on
Wed Apr 02 21:10:35 GMT 2025
|
| Record UNII |
CY9SN37GAY
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
CY9SN37GAY
Created by
admin on Wed Apr 02 21:10:35 GMT 2025 , Edited by admin on Wed Apr 02 21:10:35 GMT 2025
|
PRIMARY | |||
|
3034813-65-2
Created by
admin on Wed Apr 02 21:10:35 GMT 2025 , Edited by admin on Wed Apr 02 21:10:35 GMT 2025
|
PRIMARY | |||
|
171590487
Created by
admin on Wed Apr 02 21:10:35 GMT 2025 , Edited by admin on Wed Apr 02 21:10:35 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
ISM6331 is a novel small molecular compound that interact with transcriptional enhanced
associate domain (TEAD) and block its autopalmitoylation, resulting in suppression of TEAD
transcriptional activity and inhibition of cell proliferation in vitro and tumor growth in vivo,
especially tumors with Hippo signaling pathway genetic alterations
|
![Structure of (3-Hydroxyazetidin-1-yl)-[(1R,2R)-2-[2-methyl-5-[4-(trifluoromethyl)phenoxy]indazol-7-yl]cyclopropyl]methanone](/img/634aad99-fec4-421b-a57d-a74ee75a4931.svg "Structure of (3-Hydroxyazetidin-1-yl)-[(1R,2R)-2-[2-methyl-5-[4-(trifluoromethyl)phenoxy]indazol-7-yl]cyclopropyl]methanone")